| Phytochemical Name : Swertisin |
| PCNDIDS0181 |
| Pubchem CID : 124034 |
| Molecular formula: C22H22O10 |
| Canonical SMILES : COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O |
Synonymes : Swertisin|6991-10-2|Flavocommelitin|APIGENIN 6-GLUCOSYL-7-O-METHYL ETHER|6-C-glucopyranosyl-7-O-methylapigenin|NSC 641547|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one|5,4'-dihydroxy-7-methoxy-6-C-beta-D-glucopyranosyl flavonoside|4H-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-|7-O-Methylapigenin 6-C-beta-D-glucopyranoside|CHEMBL486415|SCHEMBL2778665|DTXSID70990181|CHEBI:131838|HY-N2189|AKOS032945994|MS-28049|CS-0019497|7-O-methyl-6-C-beta-D-glucopyranosylapigenin|C17835|6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one|(1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]hexitol|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.070 |
| Log Po/w (XLOGP3) : 0.530 |
| Log Po/w (WLOGP) : 0.070 |
| Log Po/w (MLOGP) : -1.800 |
| Log Po/w (SILICOS-IT) : 0.870 |
| Consensus Log Po/w : 0.350 |